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CHEBI:212285 - 16-demethylrifamycin W

ChEBI IDCHEBI:212285
ChEBI Name16-demethylrifamycin W
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H43NO11
Net Charge0
Average Mass641.714
Monoisotopic Mass641.28361
SMILESC/C1=C/C(CO)[C@H](O)[C@@H](C)[C@@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C\C(=O)NC2=CC(=O)c3c(c(O)c(C)c(O)c3C1=O)C2=O
InChIInChI=1S/C34H43NO11/c1-14-9-7-8-10-23(38)35-21-12-22(37)24-25(32(44)19(6)33(45)26(24)34(21)46)28(40)15(2)11-20(13-36)31(43)18(5)30(42)17(4)29(41)16(3)27(14)39/h7-12,14,16-18,20,27,29-31,36,39,41-45H,13H2,1-6H3,(H,35,38)/b9-7+,10-8-,15-11-/t14-,16+,17+,18-,20?,27-,29+,30-,31+/m0/s1
InChIKeyWZMHKMYDUGGIAF-WMEOUHPRSA-N
Species of MetaboliteComponentSourceComments
Micromonosporaspecies TP-A0468 (ncbitaxon:1182970) - PubMed (30530711)
ChEBI Ontology
Outgoing Relation(s)
16-demethylrifamycin W (CHEBI:212285) is a naphthoquinone (CHEBI:25481)
IUPAC Name 
(7Z,10S,11R,12R,13R,14R,15R,16S,17S,18E,20Z)-2,4,10,12,14,16-hexahydroxy-9-(hydroxymethyl)-3,7,11,13,15,17-hexamethyl-23-azatricyclo[22.3.1.05,27]octacosa-1,3,5(27),7,18,20,24-heptaene-6,22,26,28-tetrone